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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HgI2 by Materials Project

HgI2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six I1- atoms to form distorted edge-sharing HgI6 octahedra. There are a spread of Hg–I bond distances ranging from 2.65–3.77 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgI2 by Materials Project

HgI2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four equivalent I1- atoms to form corner-sharing HgI4 tetrahedra. All Hg–I bond lengths are 2.87 Å. I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgI2 by Materials Project

HgI2 crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of four HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.86–2.89 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgI2 by Materials Project

HgI2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are three shorter (2.87 Å) and one longer (2.88 Å) Hg–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg2I3Br by Materials Project

HgI2HgBrI crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two 13444-76-3 molecules and one HgI2 sheet oriented in the (0, 0, 1) direction. In the HgI2 sheet, Hg2+ is bonded to six I1- atoms to form edge-sharing HgI6 octahedra. There are a spread of Hg–I bond distances ranging from 2.66–3.66 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗